1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine

C10H11BrClNO — CID 84811063

IUPAC1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(Cl)c(C2(N)CC2)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-14-9-5-8(12)6(4-7(9)11)10(13)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyNICAAOCWRBUIGD-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.06
Rot. Bonds2

About 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine

1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine (PubChem CID 84811063) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
PubChem CID84811063
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(Cl)c(C2(N)CC2)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-14-9-5-8(12)6(4-7(9)11)10(13)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyNICAAOCWRBUIGD-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
CID 84782031
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine (CID 84811063) is 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine is COc1cc(Cl)c(C2(N)CC2)cc1Br.
What is the InChIKey of 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is NICAAOCWRBUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-14-9-5-8(12)6(4-7(9)11)10(13)2-3-10/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine?
1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 276.56 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84811063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).